#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qz8 s ASP 6 N 0.00 3.72 0.53 -1.43 3.84 -1.26 -4.70 116.67 117.37 2qz8 s ASP 6 Ca 0.00 1.90 0.37 0.00 -0.00 0.00 0.00 52.55 54.82 2qz8 s ASP 6 Cb 0.00 -2.49 1.55 0.00 -1.38 0.00 0.00 42.92 40.60 2qz8 s ASP 6 CO 0.00 -2.55 1.77 0.44 -0.00 0.00 0.00 175.17 174.83 2qz8 h ASP 7 N -1.48 0.04 0.04 2.11 3.45 -2.06 -1.39 116.42 117.13 2qz8 h ASP 7 Ca -0.45 0.01 -0.08 0.00 0.43 0.00 0.00 57.03 56.94 2qz8 h ASP 7 Cb 1.25 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 40.04 2qz8 h ASP 7 CO 0.48 0.00 -0.33 -0.29 -1.57 0.00 0.00 179.24 177.53 2qz8 h ILE 8 N 0.03 1.62 -0.69 0.35 6.09 -1.97 -2.67 117.51 120.26 2qz8 h ILE 8 Ca 0.62 -2.24 0.13 0.00 -1.37 0.00 0.00 64.86 62.00 2qz8 h ILE 8 Cb 2.43 3.09 -0.04 0.00 0.47 0.00 0.00 36.82 42.77 2qz8 h ILE 8 CO -0.04 0.61 0.46 0.44 -3.07 0.00 0.00 178.15 176.56 2qz8 h ASP 9 N -0.62 0.39 -0.13 2.19 3.32 -1.67 -2.00 116.42 117.91 2qz8 h ASP 9 Ca -0.05 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.04 2qz8 h ASP 9 Cb 1.18 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.64 2qz8 h ASP 9 CO 0.06 0.22 -0.05 -0.09 -1.72 0.00 0.00 179.24 177.66 2qz8 h ARG 10 N 0.43 -0.03 -0.61 3.56 9.65 -1.15 0.28 114.38 126.50 2qz8 h ARG 10 Ca 0.33 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 59.16 2qz8 h ARG 10 Cb 0.71 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.27 2qz8 h ARG 10 CO -0.10 -0.02 0.17 0.82 2.80 0.00 0.00 179.97 183.64 2qz8 h ILE 11 N -0.03 1.25 -0.19 1.20 2.04 -1.06 -0.32 117.51 120.39 2qz8 h ILE 11 Ca 0.07 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.06 2qz8 h ILE 11 Cb 0.14 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2qz8 h ILE 11 CO -0.15 0.33 0.12 -0.07 0.00 0.00 0.00 178.15 178.38 2qz8 h LEU 12 N 0.88 0.22 -0.35 1.44 3.38 -1.06 0.24 115.31 120.05 2qz8 h LEU 12 Ca 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2qz8 h LEU 12 Cb 0.32 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2qz8 h LEU 12 CO -0.00 0.16 0.22 0.58 0.09 0.00 0.00 178.44 179.49 2qz8 h VAL 13 N 0.25 1.11 -0.15 1.22 2.07 -0.80 0.50 116.25 120.46 2qz8 h VAL 13 Ca 0.07 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.41 2qz8 h VAL 13 Cb -0.03 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.31 2qz8 h VAL 13 CO -0.01 0.11 -0.28 -0.09 0.02 0.00 0.00 177.57 177.31 2qz8 h ARG 14 N 0.47 -0.33 -0.66 1.57 2.43 -0.77 0.94 114.38 118.04 2qz8 h ARG 14 Ca 0.13 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 2qz8 h ARG 14 Cb -0.02 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 2qz8 h ARG 14 CO -0.03 -0.22 0.29 0.93 -1.51 0.00 0.00 179.97 179.44 2qz8 h GLU 15 N -0.34 0.96 -0.65 0.20 4.39 -0.63 -0.22 114.58 118.29 2qz8 h GLU 15 Ca 0.11 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 2qz8 h GLU 15 Cb 0.50 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 2qz8 h GLU 15 CO -0.34 0.78 0.32 -0.07 -1.16 0.00 0.00 179.01 178.54 2qz8 h LEU 16 N 0.91 0.84 -0.83 1.33 3.38 -0.60 -1.32 115.31 119.03 2qz8 h LEU 16 Ca 0.22 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 2qz8 h LEU 16 Cb 0.16 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2qz8 h LEU 16 CO -0.02 0.73 0.30 0.00 0.09 0.00 0.00 178.44 179.53 2qz8 h ALA 17 N 1.15 1.06 -0.50 1.53 0.00 -0.30 -2.61 119.26 119.58 2qz8 h ALA 17 Ca 0.22 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2qz8 h ALA 17 Cb 0.11 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2qz8 h ALA 17 CO -0.03 0.66 0.05 0.00 0.00 0.00 0.00 179.25 179.93 2qz8 h ALA 18 N 1.19 1.14 -0.78 0.00 0.00 -0.52 -3.43 119.26 116.87 2qz8 h ALA 18 Ca 0.26 -0.24 0.13 0.00 0.00 0.00 0.00 54.91 55.06 2qz8 h ALA 18 Cb 0.23 -0.20 -0.21 0.00 0.00 0.00 0.00 17.79 17.61 2qz8 h ALA 18 CO -0.02 0.56 -0.15 0.34 0.00 0.00 0.00 179.25 179.98 2qz8 s ASP 19 N -6.62 -1.10 0.52 0.00 3.68 -0.55 -5.02 116.67 107.58 2qz8 s ASP 19 Ca -0.10 0.64 0.35 0.00 2.13 0.00 0.00 52.55 55.57 2qz8 s ASP 19 Cb 0.15 1.90 1.83 0.00 -1.45 0.00 0.00 42.92 45.36 2qz8 s ASP 19 CO 0.81 -0.21 2.07 1.23 0.13 0.00 0.00 175.17 179.20 2qz8 h GLY 20 N 7.98 0.00 1.71 2.66 0.00 -1.72 -1.93 103.07 111.76 2qz8 h GLY 20 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2qz8 h GLY 20 CO 0.14 0.00 -0.07 0.54 0.00 0.00 0.00 176.54 177.14 2qz8 n ARG 21 N -2.77 0.13 -1.61 4.80 1.74 -1.26 -4.91 116.66 112.78 2qz8 n ARG 21 Ca -0.02 -0.02 -0.50 0.00 -0.77 0.00 0.00 57.85 56.54 2qz8 n ARG 21 Cb 0.10 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.98 2qz8 n ARG 21 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2qz8 n VAL 22 N -1.42 0.13 -2.17 1.55 3.14 -0.73 -4.91 118.33 113.92 2qz8 n VAL 22 Ca 0.09 -0.03 -0.28 0.00 -2.96 0.00 0.00 64.34 61.16 2qz8 n VAL 22 Cb 0.32 -1.00 0.04 0.00 -1.06 0.00 0.00 33.84 32.14 2qz8 n VAL 22 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 2qz8 s THR 23 N 0.48 3.35 0.31 1.55 -4.23 -1.26 -4.89 115.64 110.95 2qz8 s THR 23 Ca 0.81 0.14 0.02 0.00 -1.18 0.00 0.00 61.69 61.48 2qz8 s THR 23 Cb -0.87 -3.38 0.29 0.00 1.34 0.00 0.00 72.50 69.87 2qz8 s THR 23 CO 0.45 -0.44 1.88 -0.07 -0.54 0.00 0.00 174.62 175.90 2qz8 h LEU 24 N -0.44 0.86 -0.43 4.79 3.38 -1.95 -1.07 115.31 120.45 2qz8 h LEU 24 Ca -0.45 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 2qz8 h LEU 24 Cb 1.27 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 2qz8 h LEU 24 CO 0.62 0.51 0.04 0.28 0.09 0.00 0.00 178.44 179.97 2qz8 h SER 25 N 0.95 0.72 0.17 -0.43 0.02 -1.93 0.31 113.55 113.36 2qz8 h SER 25 Ca 0.43 -0.28 -0.09 0.00 -0.84 0.00 0.00 61.79 61.01 2qz8 h SER 25 Cb 0.38 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2qz8 h SER 25 CO -0.19 0.82 -0.32 -0.33 -1.14 0.00 0.00 176.83 175.67 2qz8 h GLU 26 N 0.59 0.23 -0.21 3.45 5.08 -1.80 -2.07 114.58 119.84 2qz8 h GLU 26 Ca 0.13 -0.09 -0.17 0.00 -1.00 0.00 0.00 59.36 58.23 2qz8 h GLU 26 Cb 0.44 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 2qz8 h GLU 26 CO 0.02 0.54 -0.56 -0.07 -1.00 0.00 0.00 179.01 177.93 2qz8 h LEU 27 N 0.20 0.72 -0.49 1.33 3.38 -0.92 -1.81 115.31 117.73 2qz8 h LEU 27 Ca 0.03 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 2qz8 h LEU 27 Cb 0.68 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2qz8 h LEU 27 CO 0.05 1.13 0.24 0.00 0.09 0.00 0.00 178.44 179.96 2qz8 h ALA 28 N 0.88 0.62 -0.18 1.53 0.00 -0.49 0.38 119.26 122.01 2qz8 h ALA 28 Ca 0.01 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 2qz8 h ALA 28 Cb 1.12 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2qz8 h ALA 28 CO 0.11 0.17 -0.66 1.79 0.00 0.00 0.00 179.25 180.66 2qz8 h THR 29 N 0.64 1.30 -0.10 0.00 1.35 -1.38 0.54 112.91 115.27 2qz8 h THR 29 Ca 0.17 -1.90 -0.12 0.00 -0.55 0.00 0.00 66.41 64.01 2qz8 h THR 29 Cb 0.10 1.86 -0.01 0.00 -1.73 0.00 0.00 68.15 68.37 2qz8 h THR 29 CO -0.02 0.60 -0.48 0.03 -0.25 0.00 0.00 175.52 175.40 2qz8 h ARG 30 N 0.51 0.25 0.08 4.72 -0.00 -1.13 -3.25 114.38 115.56 2qz8 h ARG 30 Ca -0.02 -0.13 -0.26 0.00 -0.50 0.00 0.00 59.98 59.06 2qz8 h ARG 30 Cb 1.26 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 31.22 2qz8 h ARG 30 CO 0.13 0.67 -1.39 0.00 0.00 0.00 0.00 179.97 179.39 2qz8 h ALA 31 N 1.31 0.22 0.00 0.04 0.00 -0.23 -3.49 119.26 117.11 2qz8 h ALA 31 Ca 0.01 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 53.79 2qz8 h ALA 31 Cb 0.92 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2qz8 h ALA 31 CO 0.07 0.82 0.00 0.41 0.00 0.00 0.00 179.25 180.56 2qz8 n GLY 32 N 1.70 0.85 0.87 0.00 0.00 0.17 -5.05 105.19 103.72 2qz8 n GLY 32 Ca -0.27 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.70 2qz8 n GLY 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qz8 n LEU 33 N 0.00 0.00 -4.95 0.99 4.77 -0.15 -5.03 117.00 112.63 2qz8 n LEU 33 Ca 0.00 -0.85 -0.27 0.00 -0.03 0.00 0.00 56.01 54.86 2qz8 n LEU 33 Cb 0.00 0.44 0.12 0.00 -2.33 0.00 0.00 43.42 41.65 2qz8 n LEU 33 CO 0.00 -0.14 0.69 -0.94 -1.33 0.00 0.00 177.39 175.67 2qz8 s SER 34 N -1.63 4.08 0.25 -1.43 1.04 -1.26 -4.55 113.70 110.20 2qz8 s SER 34 Ca 0.10 0.17 0.16 0.00 0.48 0.00 0.00 55.95 56.86 2qz8 s SER 34 Cb 0.01 -0.52 0.05 0.00 0.10 0.00 0.00 66.02 65.65 2qz8 s SER 34 CO 0.07 -2.08 1.35 -0.37 0.98 0.00 0.00 173.24 173.20 2qz8 h VAL 35 N -0.96 0.74 -0.23 5.02 -1.51 -1.95 -2.82 116.25 114.54 2qz8 h VAL 35 Ca -0.42 -2.09 -0.18 0.00 -1.23 0.00 0.00 66.70 62.78 2qz8 h VAL 35 Cb 1.27 2.32 -0.00 0.00 -2.13 0.00 0.00 31.29 32.75 2qz8 h VAL 35 CO 0.47 0.42 -0.57 0.28 -1.23 0.00 0.00 177.57 176.95 2qz8 h SER 36 N 0.00 0.81 0.83 4.19 0.02 -1.95 0.25 113.55 117.70 2qz8 h SER 36 Ca -0.03 -0.44 -0.04 0.00 -0.84 0.00 0.00 61.79 60.44 2qz8 h SER 36 Cb 1.39 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 63.70 2qz8 h SER 36 CO 0.06 1.21 -0.40 0.00 -1.14 0.00 0.00 176.83 176.56 2qz8 h ALA 37 N 0.81 -1.20 -0.33 3.77 0.00 -1.96 -1.70 119.26 118.65 2qz8 h ALA 37 Ca 0.01 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.70 2qz8 h ALA 37 Cb 1.15 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 2qz8 h ALA 37 CO 0.12 -1.12 -0.24 0.28 0.00 0.00 0.00 179.25 178.29 2qz8 h VAL 38 N -1.21 0.00 -0.83 0.00 2.07 -1.52 0.34 116.25 115.10 2qz8 h VAL 38 Ca -0.11 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.63 2qz8 h VAL 38 Cb 0.85 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.47 2qz8 h VAL 38 CO 0.19 0.00 0.02 1.67 0.02 0.00 0.00 177.57 179.46 2qz8 n GLN 39 N -3.90 -0.07 -0.03 1.57 -0.06 0.07 -0.26 117.38 114.70 2qz8 n GLN 39 Ca -0.00 1.25 -0.13 0.00 -2.00 0.00 0.00 57.00 56.11 2qz8 n GLN 39 Cb 0.12 -1.98 -0.09 0.00 -4.06 0.00 0.00 30.24 24.23 2qz8 n GLN 39 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 2qz8 h SER 40 N 0.00 0.18 -0.30 1.69 4.64 0.54 -0.83 113.55 119.48 2qz8 h SER 40 Ca 0.50 -0.51 0.04 0.00 -0.47 0.00 0.00 61.79 61.35 2qz8 h SER 40 Cb 1.04 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 63.04 2qz8 h SER 40 CO -0.78 0.65 0.07 0.03 -0.87 0.00 0.00 176.83 175.93 2qz8 h ARG 41 N -0.29 0.18 -0.17 4.77 3.08 0.54 -0.20 114.38 122.29 2qz8 h ARG 41 Ca 0.01 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.07 2qz8 h ARG 41 Cb 0.61 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 2qz8 h ARG 41 CO 0.02 0.12 0.03 0.28 -1.07 0.00 0.00 179.97 179.35 2qz8 h VAL 42 N 0.19 0.92 -0.43 2.04 2.07 -0.59 0.41 116.25 120.86 2qz8 h VAL 42 Ca 0.14 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.67 2qz8 h VAL 42 Cb 0.14 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2qz8 h VAL 42 CO -0.17 0.02 0.29 0.03 0.02 0.00 0.00 177.57 177.76 2qz8 h ARG 43 N 0.10 0.39 0.38 1.57 -0.00 -0.91 -0.77 114.38 115.13 2qz8 h ARG 43 Ca 0.08 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.51 2qz8 h ARG 43 Cb 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 29.97 29.96 2qz8 h ARG 43 CO -0.10 0.26 -0.18 -0.09 0.00 0.00 0.00 179.97 179.85 2qz8 h ARG 44 N 0.40 -0.49 -0.99 0.04 2.43 0.80 -1.33 114.38 115.23 2qz8 h ARG 44 Ca 0.18 0.03 0.22 0.00 -0.81 0.00 0.00 59.98 59.61 2qz8 h ARG 44 Cb 0.22 0.11 -0.10 0.00 -0.42 0.00 0.00 29.97 29.79 2qz8 h ARG 44 CO -0.04 -0.19 0.62 -0.07 -1.51 0.00 0.00 179.97 178.79 2qz8 h LEU 45 N -0.84 0.59 -0.29 3.80 3.38 0.11 0.27 115.31 122.33 2qz8 h LEU 45 Ca -0.05 0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 2qz8 h LEU 45 Cb 0.54 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2qz8 h LEU 45 CO 0.09 0.18 -0.23 -0.33 0.09 0.00 0.00 178.44 178.24 2qz8 h GLU 46 N 0.56 0.67 -0.36 1.13 5.08 -1.01 0.45 114.58 121.10 2qz8 h GLU 46 Ca 0.56 -0.33 -0.14 0.00 -1.00 0.00 0.00 59.36 58.45 2qz8 h GLU 46 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2qz8 h GLU 46 CO -0.32 0.94 -0.34 0.66 -1.00 0.00 0.00 179.01 178.95 2qz8 h SER 47 N 0.41 0.86 0.00 1.42 4.64 0.14 -1.65 113.55 119.37 2qz8 h SER 47 Ca 0.05 -0.37 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2qz8 h SER 47 Cb 0.79 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2qz8 h SER 47 CO 0.06 1.12 0.00 0.54 -0.87 0.00 0.00 176.83 177.68 2qz8 n ARG 48 N -4.06 0.61 -1.03 4.77 1.74 -0.10 -4.85 116.66 113.73 2qz8 n ARG 48 Ca -0.01 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.05 2qz8 n ARG 48 Cb 0.51 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.45 2qz8 n ARG 48 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qz8 n GLY 49 N 0.22 0.46 0.10 -0.13 0.00 -0.62 -4.91 105.19 100.30 2qz8 n GLY 49 Ca 0.14 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 2qz8 n GLY 49 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qz8 h VAL 50 N 0.00 1.39 -3.64 1.61 2.07 -1.14 -3.39 116.25 113.16 2qz8 h VAL 50 Ca -0.02 -1.33 -0.65 0.00 0.82 0.00 0.00 66.70 65.51 2qz8 h VAL 50 Cb 0.29 2.11 -0.16 0.00 -1.52 0.00 0.00 31.29 32.01 2qz8 h VAL 50 CO 0.04 0.37 -0.18 -0.69 0.02 0.00 0.00 177.57 177.13 2qz8 s VAL 51 N -4.13 5.10 -0.10 2.57 1.01 -0.82 -4.96 120.40 119.07 2qz8 s VAL 51 Ca -0.15 0.20 0.21 0.00 0.00 0.00 0.00 61.98 62.25 2qz8 s VAL 51 Cb 0.03 -3.88 -0.24 0.00 0.00 0.00 0.00 36.38 32.29 2qz8 s VAL 51 CO 0.72 -0.14 0.59 0.00 0.00 0.00 0.00 175.10 176.28 2qz8 n GLN 52 N 5.54 0.65 0.00 2.72 6.02 -1.26 -4.38 117.38 126.67 2qz8 n GLN 52 Ca -0.07 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 2qz8 n GLN 52 Cb 0.49 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 30.14 2qz8 n GLN 52 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qz8 n GLY 53 N 1.29 -0.32 0.12 1.08 0.00 -1.26 -5.04 105.19 101.05 2qz8 n GLY 53 Ca -0.06 -1.03 0.01 0.00 0.00 0.00 0.00 46.02 44.94 2qz8 n GLY 53 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2qz8 n TYR 54 N -0.31 0.00 -1.76 1.61 4.01 -1.26 -5.08 117.16 114.37 2qz8 n TYR 54 Ca 0.00 -0.20 -0.41 0.00 -0.16 0.00 0.00 57.90 57.12 2qz8 n TYR 54 Cb 0.00 -0.04 -0.01 0.00 -0.31 0.00 0.00 39.34 38.99 2qz8 n TYR 54 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2qz8 n SER 55 N -0.25 3.80 -4.77 7.72 3.41 -1.26 -4.94 113.62 117.32 2qz8 n SER 55 Ca 0.02 1.20 -0.36 0.00 -0.26 0.00 0.00 58.87 59.46 2qz8 n SER 55 Cb 0.51 -1.61 -0.01 0.00 -0.26 0.00 0.00 64.21 62.84 2qz8 n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qz8 s ALA 56 N -0.75 2.89 -0.28 7.33 0.00 -1.26 -4.99 121.76 124.71 2qz8 s ALA 56 Ca 0.57 0.90 -0.20 0.00 0.00 0.00 0.00 51.96 53.22 2qz8 s ALA 56 Cb -0.48 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.25 2qz8 s ALA 56 CO 0.59 -0.68 0.63 0.50 0.00 0.00 0.00 175.76 176.80 2qz8 s ARG 57 N -2.87 4.02 -0.10 0.00 6.06 -1.26 -5.04 118.95 119.76 2qz8 s ARG 57 Ca 0.66 0.44 -0.05 0.00 -2.50 0.00 0.00 55.73 54.29 2qz8 s ARG 57 Cb -0.27 -3.68 -0.04 0.00 0.06 0.00 0.00 34.95 31.02 2qz8 s ARG 57 CO 0.32 -0.48 0.09 0.42 -2.50 0.00 0.00 175.30 173.15 2qz8 s ILE 58 N 2.55 5.02 -0.26 4.11 -1.09 -1.26 -5.05 121.20 125.22 2qz8 s ILE 58 Ca 0.26 -0.00 -0.28 0.00 -2.23 0.00 0.00 60.65 58.39 2qz8 s ILE 58 Cb -0.15 -3.17 -0.03 0.00 -1.58 0.00 0.00 42.46 37.52 2qz8 s ILE 58 CO 0.10 0.59 1.89 0.21 -1.23 0.00 0.00 174.94 176.50 2qz8 s ASN 59 N -1.04 5.90 0.40 3.58 3.84 -1.26 -4.87 114.94 121.49 2qz8 s ASN 59 Ca 0.15 1.61 0.12 0.00 0.21 0.00 0.00 52.86 54.95 2qz8 s ASN 59 Cb -0.12 -2.52 0.92 0.00 -0.55 0.00 0.00 41.25 38.98 2qz8 s ASN 59 CO 0.04 -1.65 1.92 -0.65 -2.79 0.00 0.00 177.10 173.97 2qz8 h PRO 60 N 12.94 0.54 -0.11 0.43 0.11 -1.97 0.06 132.00 144.01 2qz8 h PRO 60 Ca -0.37 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.68 2qz8 h PRO 60 Cb 1.19 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2qz8 h PRO 60 CO 1.00 0.36 -0.09 0.93 -0.21 0.00 0.00 178.00 179.98 2qz8 h GLU 61 N 0.56 0.16 0.00 1.05 5.08 -1.87 -0.50 114.58 119.06 2qz8 h GLU 61 Ca 0.36 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.62 2qz8 h GLU 61 Cb 0.65 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2qz8 h GLU 61 CO -0.13 0.26 -0.38 0.00 -1.00 0.00 0.00 179.01 177.77 2qz8 h ALA 62 N 1.76 1.14 -0.61 3.43 0.00 -1.28 -2.58 119.26 121.13 2qz8 h ALA 62 Ca 0.03 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 2qz8 h ALA 62 Cb 0.27 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2qz8 h ALA 62 CO 0.01 0.47 0.09 1.33 0.00 0.00 0.00 179.25 181.16 2qz8 n VAL 63 N -3.75 2.80 -0.03 0.00 0.24 -1.03 -4.92 118.33 111.64 2qz8 n VAL 63 Ca -0.01 -1.55 0.00 0.00 -2.04 0.00 0.00 64.34 60.74 2qz8 n VAL 63 Cb 0.46 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.52 2qz8 n VAL 63 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qz8 n GLY 64 N 0.23 0.36 3.50 7.63 0.00 -0.97 -5.02 105.19 110.92 2qz8 n GLY 64 Ca 0.32 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 2qz8 n GLY 64 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qz8 s HIS 65 N -2.08 2.96 -0.31 1.61 3.76 -0.23 -4.17 115.29 116.83 2qz8 s HIS 65 Ca 0.00 -1.36 0.23 0.00 -0.15 0.00 0.00 55.06 53.77 2qz8 s HIS 65 Cb 0.00 -4.47 0.02 0.00 1.11 0.00 0.00 32.58 29.24 2qz8 s HIS 65 CO 0.00 -1.65 1.03 1.28 -0.85 0.00 0.00 174.74 174.55 2qz8 n LEU 66 N 7.34 0.73 -4.07 0.89 4.77 -0.67 -2.99 117.00 123.01 2qz8 n LEU 66 Ca 0.32 0.25 -0.31 0.00 -0.03 0.00 0.00 56.01 56.23 2qz8 n LEU 66 Cb 0.48 -0.08 -0.16 0.00 -2.33 0.00 0.00 43.42 41.33 2qz8 n LEU 66 CO 0.60 -0.13 -0.51 -0.22 -1.33 0.00 0.00 177.39 175.81 2qz8 s LEU 67 N -4.97 1.85 0.27 2.23 2.96 -0.61 -4.98 118.68 115.43 2qz8 s LEU 67 Ca 0.00 -0.53 0.10 0.00 -0.22 0.00 0.00 54.13 53.48 2qz8 s LEU 67 Cb 0.11 -1.27 -0.05 0.00 0.50 0.00 0.00 46.19 45.48 2qz8 s LEU 67 CO 0.79 -0.01 -0.08 -0.44 -1.32 0.00 0.00 176.35 175.29 2qz8 s SER 68 N 1.27 4.20 -0.12 3.68 0.01 -1.26 -0.67 113.70 120.81 2qz8 s SER 68 Ca 0.02 -0.77 -0.30 0.00 1.31 0.00 0.00 55.95 56.20 2qz8 s SER 68 Cb -0.14 -0.65 0.11 0.00 0.21 0.00 0.00 66.02 65.55 2qz8 s SER 68 CO -0.09 0.02 0.90 0.00 0.41 0.00 0.00 173.24 174.48 2qz8 s ALA 69 N -2.36 -1.88 0.07 1.44 0.00 -0.58 -2.21 121.76 116.24 2qz8 s ALA 69 Ca 0.31 1.49 -0.21 0.00 0.00 0.00 0.00 51.96 53.54 2qz8 s ALA 69 Cb -0.06 -0.47 -0.06 0.00 0.00 0.00 0.00 23.12 22.53 2qz8 s ALA 69 CO 0.18 -0.34 0.64 -0.06 0.00 0.00 0.00 175.76 176.18 2qz8 s PHE 70 N -1.20 3.79 -0.22 0.00 0.08 -0.06 -1.29 117.98 119.07 2qz8 s PHE 70 Ca -0.04 1.34 0.01 0.00 0.12 0.00 0.00 56.93 58.37 2qz8 s PHE 70 Cb -0.00 -2.61 0.05 0.00 -0.57 0.00 0.00 43.02 39.88 2qz8 s PHE 70 CO 0.04 0.48 -0.10 0.08 -0.10 0.00 0.00 175.22 175.61 2qz8 s VAL 71 N -0.75 1.77 -0.09 -0.44 1.01 0.98 0.17 120.40 123.05 2qz8 s VAL 71 Ca 0.32 -1.19 -0.19 0.00 0.00 0.00 0.00 61.98 60.91 2qz8 s VAL 71 Cb -0.20 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 2qz8 s VAL 71 CO 0.20 0.09 0.53 0.00 0.00 0.00 0.00 175.10 175.93 2qz8 s ALA 72 N 1.32 3.46 0.14 5.51 0.00 -0.12 -0.72 121.76 131.35 2qz8 s ALA 72 Ca -0.04 -0.10 0.10 0.00 0.00 0.00 0.00 51.96 51.92 2qz8 s ALA 72 Cb -0.17 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 2qz8 s ALA 72 CO -0.07 0.03 -0.22 0.96 0.00 0.00 0.00 175.76 176.45 2qz8 s ILE 73 N 0.47 1.99 -0.03 0.00 -4.36 0.16 -1.03 121.20 118.40 2qz8 s ILE 73 Ca 0.29 -1.78 -0.00 0.00 -0.26 0.00 0.00 60.65 58.89 2qz8 s ILE 73 Cb -0.16 -1.84 0.03 0.00 1.25 0.00 0.00 42.46 41.74 2qz8 s ILE 73 CO 0.13 -0.10 0.03 -0.89 0.24 0.00 0.00 174.94 174.35 2qz8 s THR 74 N -1.46 -0.04 0.42 8.37 2.01 -1.00 -1.16 115.64 122.78 2qz8 s THR 74 Ca 0.13 0.25 -0.26 0.00 0.31 0.00 0.00 61.69 62.12 2qz8 s THR 74 Cb -0.09 -0.12 -0.10 0.00 0.01 0.00 0.00 72.50 72.21 2qz8 s THR 74 CO 0.06 0.12 1.41 -2.65 -0.69 0.00 0.00 174.62 172.87 2qz8 n PRO 75 N 4.45 2.31 0.18 4.92 -0.02 -1.26 -0.37 135.00 145.21 2qz8 n PRO 75 Ca -0.22 0.82 0.03 0.00 -2.02 0.00 0.00 63.50 62.11 2qz8 n PRO 75 Cb 0.50 -2.58 0.35 0.00 -0.02 0.00 0.00 33.50 31.75 2qz8 n PRO 75 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2qz8 h LEU 76 N 2.46 0.00 -7.23 2.45 3.38 -1.63 -3.35 115.31 111.39 2qz8 h LEU 76 Ca -0.50 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.84 2qz8 h LEU 76 Cb 1.27 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.61 2qz8 h LEU 76 CO 0.62 0.40 -0.65 -0.62 0.09 0.00 0.00 178.44 178.28 2qz8 s ASP 77 N -6.79 4.23 0.42 -0.43 2.15 -1.26 -4.96 116.67 110.02 2qz8 s ASP 77 Ca -0.02 -3.11 0.29 0.00 0.43 0.00 0.00 52.55 50.14 2qz8 s ASP 77 Cb 0.14 -1.50 1.43 0.00 -0.30 0.00 0.00 42.92 42.68 2qz8 s ASP 77 CO 0.72 -0.21 1.89 -0.65 -0.17 0.00 0.00 175.17 176.75 2qz8 h PRO 78 N 6.31 0.00 0.00 4.34 0.11 -1.98 -2.26 132.00 138.51 2qz8 h PRO 78 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2qz8 h PRO 78 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2qz8 h PRO 78 CO 0.65 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.31 2qz8 n SER 79 N -2.59 0.74 -4.89 -2.05 3.41 -1.26 -4.69 113.62 102.29 2qz8 n SER 79 Ca -0.00 0.59 -0.33 0.00 -0.26 0.00 0.00 58.87 58.86 2qz8 n SER 79 Cb 0.15 -0.78 -0.05 0.00 -0.26 0.00 0.00 64.21 63.27 2qz8 n SER 79 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2qz8 s GLN 80 N -3.14 3.57 0.00 4.33 -1.52 -0.85 -5.05 119.66 117.00 2qz8 s GLN 80 Ca 0.09 -0.13 -0.30 0.00 -1.95 0.00 0.00 55.36 53.08 2qz8 s GLN 80 Cb 0.12 -3.03 -0.08 0.00 -0.22 0.00 0.00 33.01 29.81 2qz8 s GLN 80 CO 0.55 0.61 1.83 -2.14 -0.25 0.00 0.00 175.29 175.88 2qz8 s PRO 81 N -2.04 4.16 0.12 2.91 0.02 -1.26 -4.87 135.00 134.03 2qz8 s PRO 81 Ca 0.31 2.43 0.07 0.00 0.02 0.00 0.00 61.00 63.84 2qz8 s PRO 81 Cb -0.13 -4.05 -0.20 0.00 0.02 0.00 0.00 34.50 30.13 2qz8 s PRO 81 CO 0.19 -0.90 1.26 0.38 -0.33 0.00 0.00 177.00 177.61 2qz8 h ASP 82 N 10.03 0.00 -5.48 2.53 3.04 -1.90 -3.47 116.42 121.16 2qz8 h ASP 82 Ca -0.45 0.00 -0.37 0.00 -3.24 0.00 0.00 57.03 52.97 2qz8 h ASP 82 Cb 1.21 0.00 -0.09 0.00 -1.04 0.00 0.00 39.33 39.41 2qz8 h ASP 82 CO 0.95 0.98 -0.54 0.47 -2.04 0.00 0.00 179.24 179.06 2qz8 n ASP 83 N -3.33 -3.43 -0.22 4.15 8.00 -1.26 -4.88 116.55 115.58 2qz8 n ASP 83 Ca -0.01 -0.37 -0.06 0.00 0.71 0.00 0.00 54.79 55.06 2qz8 n ASP 83 Cb 0.94 -2.86 0.04 0.00 -0.02 0.00 0.00 41.12 39.22 2qz8 n ASP 83 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qz8 h ALA 84 N 0.96 0.78 -0.67 2.24 0.00 -1.92 -0.73 119.26 119.93 2qz8 h ALA 84 Ca -0.41 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 2qz8 h ALA 84 Cb 1.28 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2qz8 h ALA 84 CO 0.52 0.24 0.14 -1.35 0.00 0.00 0.00 179.25 178.79 2qz8 h PRO 85 N 0.84 1.10 -0.84 0.00 0.11 -1.98 -1.34 132.00 129.88 2qz8 h PRO 85 Ca 0.22 -0.28 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 2qz8 h PRO 85 Cb -0.06 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 30.88 2qz8 h PRO 85 CO -0.05 0.99 0.39 0.00 -0.21 0.00 0.00 178.00 179.13 2qz8 h ALA 86 N 1.06 1.10 0.00 -0.75 0.00 -1.90 -1.43 119.26 117.35 2qz8 h ALA 86 Ca 0.21 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2qz8 h ALA 86 Cb 0.41 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2qz8 h ALA 86 CO 0.01 0.67 -0.12 0.00 0.00 0.00 0.00 179.25 179.80 2qz8 h ARG 87 N 1.20 0.00 -0.01 0.00 3.08 -0.75 -3.03 114.38 114.87 2qz8 h ARG 87 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2qz8 h ARG 87 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2qz8 h ARG 87 CO -0.03 0.12 -0.47 1.28 -1.07 0.00 0.00 179.97 179.80 2qz8 n LEU 88 N -3.25 1.69 -0.25 3.04 4.77 -0.54 -4.63 117.00 117.83 2qz8 n LEU 88 Ca 0.01 -0.73 0.07 0.00 -0.03 0.00 0.00 56.01 55.33 2qz8 n LEU 88 Cb 0.39 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.80 2qz8 n LEU 88 CO 0.31 0.33 1.23 -0.08 -1.33 0.00 0.00 177.39 177.84 2qz8 h GLU 89 N 1.81 0.82 0.00 3.23 4.81 -1.14 0.91 114.58 125.02 2qz8 h GLU 89 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2qz8 h GLU 89 Cb 0.62 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2qz8 h GLU 89 CO 0.00 0.54 0.00 -2.39 -0.73 0.00 0.00 179.01 176.43 2qz8 n HIS 90 N -4.50 0.00 -2.72 0.92 1.44 -1.26 -4.63 115.22 104.46 2qz8 n HIS 90 Ca 0.13 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.42 2qz8 n HIS 90 Cb 0.27 -0.35 -0.03 0.00 0.12 0.00 0.00 29.99 30.00 2qz8 n HIS 90 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2qz8 s ILE 91 N -2.71 4.46 0.03 0.61 1.01 0.31 -4.90 121.20 120.01 2qz8 s ILE 91 Ca 0.13 1.25 0.22 0.00 0.00 0.00 0.00 60.65 62.24 2qz8 s ILE 91 Cb 0.11 -4.43 0.20 0.00 0.01 0.00 0.00 42.46 38.34 2qz8 s ILE 91 CO 0.26 -0.69 1.72 -0.33 0.00 0.00 0.00 174.94 175.90 2qz8 h GLU 92 N 8.67 0.00 0.00 2.79 5.08 -1.87 -2.38 114.58 126.87 2qz8 h GLU 92 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2qz8 h GLU 92 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2qz8 h GLU 92 CO 1.03 0.28 0.00 0.39 -1.00 0.00 0.00 179.01 179.72 2qz8 n GLU 93 N -3.33 0.12 -2.75 2.33 4.71 -1.26 -4.51 120.64 115.93 2qz8 n GLU 93 Ca 0.01 0.34 -0.43 0.00 -0.01 0.00 0.00 57.16 57.07 2qz8 n GLU 93 Cb 0.51 -1.71 -0.04 0.00 -1.01 0.00 0.00 31.44 29.19 2qz8 n GLU 93 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2qz8 s VAL 94 N -3.18 4.33 0.03 2.62 1.01 -0.90 -1.57 120.40 122.75 2qz8 s VAL 94 Ca 0.06 0.70 -0.05 0.00 0.00 0.00 0.00 61.98 62.68 2qz8 s VAL 94 Cb 0.10 -4.54 -0.29 0.00 0.00 0.00 0.00 36.38 31.64 2qz8 s VAL 94 CO 0.35 -1.03 0.98 -0.08 0.00 0.00 0.00 175.10 175.32 2qz8 h GLU 95 N 9.25 0.30 -3.22 2.72 4.81 -0.48 -3.48 114.58 124.49 2qz8 h GLU 95 Ca -0.25 -0.51 -0.10 0.00 -0.13 0.00 0.00 59.36 58.37 2qz8 h GLU 95 Cb 1.07 0.19 -0.18 0.00 0.63 0.00 0.00 28.75 30.46 2qz8 h GLU 95 CO 1.09 1.20 -0.26 -1.54 -0.73 0.00 0.00 179.01 178.77 2qz8 s SER 96 N -7.13 -0.14 -0.10 1.04 1.04 -1.18 -4.98 113.70 102.25 2qz8 s SER 96 Ca -0.07 -0.10 -0.04 0.00 0.48 0.00 0.00 55.95 56.22 2qz8 s SER 96 Cb 0.07 0.34 0.05 0.00 0.10 0.00 0.00 66.02 66.57 2qz8 s SER 96 CO 0.88 -0.55 0.21 0.00 0.98 0.00 0.00 173.24 174.75 2qz8 s TYR 98 N 2.04 1.58 0.23 0.00 1.51 0.14 -4.98 117.35 117.86 2qz8 s TYR 98 Ca -0.01 -0.32 -0.19 0.00 -1.01 0.00 0.00 57.07 55.54 2qz8 s TYR 98 Cb -0.12 -0.99 -0.08 0.00 -0.11 0.00 0.00 41.96 40.66 2qz8 s TYR 98 CO -0.07 0.01 0.72 -1.54 -1.11 0.00 0.00 175.55 173.56 2qz8 s SER 99 N -0.70 7.03 0.07 2.29 1.04 -1.26 -0.75 113.70 121.42 2qz8 s SER 99 Ca 0.06 1.40 0.01 0.00 0.48 0.00 0.00 55.95 57.90 2qz8 s SER 99 Cb -0.07 -2.41 -0.04 0.00 0.10 0.00 0.00 66.02 63.60 2qz8 s SER 99 CO 0.00 0.02 -0.06 0.68 0.98 0.00 0.00 173.24 174.86 2qz8 s VAL 100 N -1.56 0.51 0.82 5.02 -7.23 -0.80 -4.89 120.40 112.28 2qz8 s VAL 100 Ca 0.44 -1.70 -0.12 0.00 -1.81 0.00 0.00 61.98 58.79 2qz8 s VAL 100 Cb -0.16 -1.37 0.09 0.00 0.56 0.00 0.00 36.38 35.49 2qz8 s VAL 100 CO 0.21 -0.80 1.16 0.00 -0.31 0.00 0.00 175.10 175.35 2qz8 s ALA 101 N -3.19 2.45 0.00 1.32 0.00 -1.26 -4.68 121.76 116.40 2qz8 s ALA 101 Ca 0.05 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.45 2qz8 s ALA 101 Cb 0.02 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.15 2qz8 s ALA 101 CO -0.05 -1.77 0.00 0.41 0.00 0.00 0.00 175.76 174.35 2qz8 n GLY 102 N -2.96 -0.67 0.08 0.00 0.00 -1.26 -4.73 105.19 95.65 2qz8 n GLY 102 Ca 0.07 -1.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.04 2qz8 n GLY 102 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qz8 h GLU 103 N 0.00 -0.06 -7.14 1.61 4.39 -2.02 -3.45 114.58 107.91 2qz8 h GLU 103 Ca 0.00 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.21 2qz8 h GLU 103 Cb 0.00 0.01 0.05 0.00 -0.10 0.00 0.00 28.75 28.71 2qz8 h GLU 103 CO 0.00 0.56 0.25 -1.21 -1.16 0.00 0.00 179.01 177.45 2qz8 s GLU 104 N -3.36 3.45 -0.11 2.33 8.01 -1.26 -5.00 118.70 122.75 2qz8 s GLU 104 Ca -0.16 0.38 -0.03 0.00 0.01 0.00 0.00 54.97 55.18 2qz8 s GLU 104 Cb -0.00 -2.24 -0.25 0.00 -4.31 0.00 0.00 34.13 27.33 2qz8 s GLU 104 CO 0.61 -0.44 0.40 0.43 0.01 0.00 0.00 175.26 176.27 2qz8 n SER 105 N -2.52 1.89 -4.05 -0.19 7.64 -0.31 -4.68 113.62 111.41 2qz8 n SER 105 Ca 0.03 0.23 -0.09 0.00 1.01 0.00 0.00 58.87 60.06 2qz8 n SER 105 Cb 0.55 -0.70 -0.11 0.00 -1.01 0.00 0.00 64.21 62.95 2qz8 n SER 105 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2qz8 s TYR 106 N -2.56 0.47 -0.03 1.43 1.51 -1.01 -1.90 117.35 115.25 2qz8 s TYR 106 Ca -0.20 -0.78 0.05 0.00 -1.01 0.00 0.00 57.07 55.14 2qz8 s TYR 106 Cb 0.07 -0.32 -0.01 0.00 -0.11 0.00 0.00 41.96 41.58 2qz8 s TYR 106 CO 0.77 -0.25 -0.19 0.08 -1.11 0.00 0.00 175.55 174.86 2qz8 s VAL 107 N -2.64 1.53 0.06 0.71 1.01 0.07 -0.67 120.40 120.48 2qz8 s VAL 107 Ca -0.03 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.20 2qz8 s VAL 107 Cb -0.01 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 2qz8 s VAL 107 CO -0.05 0.43 -0.16 -0.04 0.00 0.00 0.00 175.10 175.29 2qz8 s MET 108 N -0.27 0.97 -0.19 2.72 -1.94 0.10 -0.68 119.30 120.01 2qz8 s MET 108 Ca 0.03 -0.91 -0.08 0.00 -1.71 0.00 0.00 55.69 53.02 2qz8 s MET 108 Cb -0.09 -1.04 -0.04 0.00 2.01 0.00 0.00 34.83 35.67 2qz8 s MET 108 CO 0.01 0.25 0.07 -1.17 -0.01 0.00 0.00 175.02 174.16 2qz8 s LEU 109 N -1.48 3.79 -0.00 -0.03 2.96 -0.97 -0.01 118.68 122.94 2qz8 s LEU 109 Ca 0.02 0.05 0.04 0.00 -0.22 0.00 0.00 54.13 54.02 2qz8 s LEU 109 Cb -0.09 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 2qz8 s LEU 109 CO 0.02 0.15 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.39 2qz8 s VAL 110 N 0.52 0.96 -0.04 1.68 1.01 -0.41 0.20 120.40 124.32 2qz8 s VAL 110 Ca 0.03 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.47 2qz8 s VAL 110 Cb -0.13 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 2qz8 s VAL 110 CO 0.01 0.22 -0.18 -0.13 0.00 0.00 0.00 175.10 175.02 2qz8 s ARG 111 N -0.42 1.75 0.25 2.72 0.52 -0.61 -1.53 118.95 121.64 2qz8 s ARG 111 Ca 0.04 -0.62 -0.03 0.00 -0.52 0.00 0.00 55.73 54.60 2qz8 s ARG 111 Cb -0.05 -1.55 -0.02 0.00 0.52 0.00 0.00 34.95 33.85 2qz8 s ARG 111 CO -0.00 0.27 0.29 0.14 0.02 0.00 0.00 175.30 176.02 2qz8 s VAL 112 N -0.05 0.00 0.18 3.52 -7.23 0.15 -4.71 120.40 112.27 2qz8 s VAL 112 Ca -0.02 -1.80 0.06 0.00 -1.81 0.00 0.00 61.98 58.42 2qz8 s VAL 112 Cb -0.11 -2.45 -0.13 0.00 0.56 0.00 0.00 36.38 34.25 2qz8 s VAL 112 CO 0.02 0.00 1.42 0.00 -0.31 0.00 0.00 175.10 176.23 2qz8 h ALA 113 N 2.39 0.61 -2.62 1.32 0.00 -1.83 -1.38 119.26 117.75 2qz8 h ALA 113 Ca -0.31 -0.73 0.12 0.00 0.00 0.00 0.00 54.91 53.99 2qz8 h ALA 113 Cb 1.25 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2qz8 h ALA 113 CO 0.44 0.98 0.49 -1.54 0.00 0.00 0.00 179.25 179.61 2qz8 s SER 114 N -6.83 -0.04 0.08 0.00 1.04 -1.26 -3.80 113.70 102.88 2qz8 s SER 114 Ca -0.01 -0.73 -0.22 0.00 0.48 0.00 0.00 55.95 55.47 2qz8 s SER 114 Cb 0.11 0.58 -0.13 0.00 0.10 0.00 0.00 66.02 66.69 2qz8 s SER 114 CO 0.80 -1.15 1.64 0.00 0.98 0.00 0.00 173.24 175.52 2qz8 h ALA 115 N 2.00 0.12 -0.85 5.32 0.00 -1.97 -1.00 119.26 122.87 2qz8 h ALA 115 Ca -0.28 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.64 2qz8 h ALA 115 Cb 1.23 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 2qz8 h ALA 115 CO 0.35 -0.32 0.51 -0.09 0.00 0.00 0.00 179.25 179.70 2qz8 h ARG 116 N 0.01 0.85 -0.31 0.00 9.65 -1.99 -1.05 114.38 121.54 2qz8 h ARG 116 Ca 0.03 -0.05 -0.06 0.00 -1.10 0.00 0.00 59.98 58.80 2qz8 h ARG 116 Cb 0.13 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.50 2qz8 h ARG 116 CO -0.00 0.56 -0.08 0.00 2.80 0.00 0.00 179.97 183.25 2qz8 h ALA 117 N 1.44 1.29 -0.56 2.80 0.00 -1.87 -1.93 119.26 120.44 2qz8 h ALA 117 Ca 0.40 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2qz8 h ALA 117 Cb 0.30 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2qz8 h ALA 117 CO -0.22 0.47 0.16 1.25 0.00 0.00 0.00 179.25 180.91 2qz8 h LEU 118 N 0.47 0.83 -0.88 0.00 5.85 0.01 -0.65 115.31 120.93 2qz8 h LEU 118 Ca 0.09 -0.22 -0.09 0.00 0.84 0.00 0.00 57.88 58.51 2qz8 h LEU 118 Cb 0.43 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2qz8 h LEU 118 CO 0.02 0.83 -0.09 -0.08 -0.34 0.00 0.00 178.44 178.78 2qz8 h GLU 119 N 0.79 0.73 -0.37 1.25 4.81 -0.83 -0.09 114.58 120.87 2qz8 h GLU 119 Ca 0.18 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 2qz8 h GLU 119 Cb 0.30 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2qz8 h GLU 119 CO -0.00 0.80 0.01 -0.44 -0.73 0.00 0.00 179.01 178.65 2qz8 h ASP 120 N 0.67 0.63 -0.52 1.04 3.32 -1.06 -2.60 116.42 117.90 2qz8 h ASP 120 Ca 0.12 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 2qz8 h ASP 120 Cb 0.54 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2qz8 h ASP 120 CO 0.03 0.77 0.24 0.25 -1.72 0.00 0.00 179.24 178.81 2qz8 h LEU 121 N 0.46 0.69 -0.28 1.55 5.85 -0.89 -1.10 115.31 121.59 2qz8 h LEU 121 Ca 0.11 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.69 2qz8 h LEU 121 Cb 0.44 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2qz8 h LEU 121 CO 0.02 0.64 0.16 -0.07 -0.34 0.00 0.00 178.44 178.85 2qz8 h LEU 122 N 0.69 0.27 -0.96 2.25 4.07 -1.00 0.17 115.31 120.80 2qz8 h LEU 122 Ca 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.14 2qz8 h LEU 122 Cb 0.14 -0.06 -0.05 0.00 1.08 0.00 0.00 40.66 41.78 2qz8 h LEU 122 CO -0.02 0.20 0.60 -0.61 -1.08 0.00 0.00 178.44 177.53 2qz8 h GLN 123 N 0.34 1.29 -0.52 1.13 5.75 -1.31 -0.49 115.11 121.30 2qz8 h GLN 123 Ca 0.11 -0.10 -0.05 0.00 -0.15 0.00 0.00 58.65 58.46 2qz8 h GLN 123 Cb -0.01 -0.28 -0.02 0.00 1.07 0.00 0.00 27.48 28.24 2qz8 h GLN 123 CO -0.05 0.88 0.14 -0.09 -2.65 0.00 0.00 178.83 177.07 2qz8 h ARG 124 N 1.32 0.83 -0.03 1.69 2.43 -0.59 -0.33 114.38 119.69 2qz8 h ARG 124 Ca 0.35 -0.19 0.02 0.00 -0.81 0.00 0.00 59.98 59.34 2qz8 h ARG 124 Cb -0.09 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 2qz8 h ARG 124 CO -0.07 0.78 -0.08 0.82 -1.51 0.00 0.00 179.97 179.91 2qz8 h ILE 125 N 0.72 0.79 -0.68 1.20 2.04 -0.23 0.12 117.51 121.47 2qz8 h ILE 125 Ca 0.17 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.05 2qz8 h ILE 125 Cb 0.31 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 2qz8 h ILE 125 CO -0.00 0.00 0.43 0.03 0.00 0.00 0.00 178.15 178.61 2qz8 h ARG 126 N -0.12 0.82 -0.34 2.37 3.08 -0.87 -0.57 114.38 118.74 2qz8 h ARG 126 Ca 0.04 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 2qz8 h ARG 126 Cb 0.18 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2qz8 h ARG 126 CO -0.10 0.54 -0.27 1.15 -1.07 0.00 0.00 179.97 180.22 2qz8 h THR 127 N 0.84 1.29 -0.36 2.04 2.02 -0.88 0.93 112.91 118.80 2qz8 h THR 127 Ca 0.27 -1.42 -0.17 0.00 0.77 0.00 0.00 66.41 65.86 2qz8 h THR 127 Cb -0.00 1.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.84 2qz8 h THR 127 CO -0.10 0.47 -0.42 0.74 0.37 0.00 0.00 175.52 176.57 2qz8 h THR 128 N 0.57 1.27 -0.14 3.16 2.02 -0.66 -3.27 112.91 115.86 2qz8 h THR 128 Ca 0.06 -1.60 0.00 0.00 0.77 0.00 0.00 66.41 65.64 2qz8 h THR 128 Cb 0.84 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 2qz8 h THR 128 CO 0.07 0.53 0.00 0.00 0.37 0.00 0.00 175.52 176.49 2qz8 n ALA 129 N -2.55 2.36 -3.48 6.16 0.00 -0.25 -4.92 120.51 117.84 2qz8 n ALA 129 Ca -0.03 -0.81 -0.23 0.00 0.00 0.00 0.00 53.44 52.38 2qz8 n ALA 129 Cb 0.56 -0.40 0.05 0.00 0.00 0.00 0.00 19.45 19.67 2qz8 n ALA 129 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2qz8 n ASN 130 N 0.58 -6.00 -4.24 0.00 2.85 0.30 -4.85 115.26 103.90 2qz8 n ASN 130 Ca 0.08 -0.85 -0.14 0.00 -0.11 0.00 0.00 54.58 53.57 2qz8 n ASN 130 Cb 0.33 -4.18 -0.10 0.00 1.24 0.00 0.00 39.78 37.07 2qz8 n ASN 130 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2qz8 s VAL 131 N -3.40 0.70 0.34 3.44 -7.23 -1.07 -1.64 120.40 111.53 2qz8 s VAL 131 Ca 0.44 -1.98 0.02 0.00 -1.81 0.00 0.00 61.98 58.65 2qz8 s VAL 131 Cb -0.11 -2.11 -0.02 0.00 0.56 0.00 0.00 36.38 34.69 2qz8 s VAL 131 CO 0.81 -0.48 0.52 0.00 -0.31 0.00 0.00 175.10 175.63 2qz8 s ARG 132 N -3.91 3.34 -0.06 4.82 1.70 0.50 -4.54 118.95 120.80 2qz8 s ARG 132 Ca 0.24 -0.57 0.02 0.00 -0.47 0.00 0.00 55.73 54.95 2qz8 s ARG 132 Cb 0.06 -2.72 0.02 0.00 -0.57 0.00 0.00 34.95 31.73 2qz8 s ARG 132 CO 0.04 0.12 -0.11 -0.08 -1.08 0.00 0.00 175.30 174.20 2qz8 s THR 133 N -2.26 1.03 -0.16 4.99 -1.32 -1.26 -2.38 115.64 114.27 2qz8 s THR 133 Ca 0.41 -0.41 -0.01 0.00 -1.21 0.00 0.00 61.69 60.47 2qz8 s THR 133 Cb -0.09 -0.95 0.04 0.00 -1.51 0.00 0.00 72.50 69.98 2qz8 s THR 133 CO 0.34 0.33 -0.05 -0.60 -2.21 0.00 0.00 174.62 172.43 2qz8 s ARG 134 N 0.75 1.40 -0.17 7.08 3.52 -0.19 -4.99 118.95 126.34 2qz8 s ARG 134 Ca -0.13 -0.48 -0.06 0.00 -0.13 0.00 0.00 55.73 54.93 2qz8 s ARG 134 Cb -0.15 -1.95 -0.04 0.00 -1.56 0.00 0.00 34.95 31.25 2qz8 s ARG 134 CO 0.03 -0.42 0.04 0.45 -0.81 0.00 0.00 175.30 174.58 2qz8 s SER 135 N 1.65 5.42 -0.31 -2.12 0.15 -1.26 -0.95 113.70 116.29 2qz8 s SER 135 Ca 0.01 0.05 -0.00 0.00 0.70 0.00 0.00 55.95 56.71 2qz8 s SER 135 Cb -0.15 -1.88 0.07 0.00 -1.71 0.00 0.00 66.02 62.34 2qz8 s SER 135 CO -0.08 0.20 0.01 -0.89 1.20 0.00 0.00 173.24 173.68 2qz8 s THR 136 N 0.22 2.77 0.13 6.45 2.01 0.13 -4.98 115.64 122.36 2qz8 s THR 136 Ca 0.02 -1.65 -0.30 0.00 0.31 0.00 0.00 61.69 60.07 2qz8 s THR 136 Cb -0.13 -2.70 -0.07 0.00 0.01 0.00 0.00 72.50 69.62 2qz8 s THR 136 CO 0.01 -0.23 1.09 -0.63 -0.69 0.00 0.00 174.62 174.16 2qz8 s ILE 137 N 1.16 4.07 0.02 1.82 1.01 -1.26 -0.89 121.20 127.14 2qz8 s ILE 137 Ca -0.02 1.69 -0.29 0.00 0.00 0.00 0.00 60.65 62.03 2qz8 s ILE 137 Cb -0.20 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 2qz8 s ILE 137 CO -0.03 0.25 0.93 -0.63 0.00 0.00 0.00 174.94 175.46 2qz8 s ILE 138 N 0.12 4.78 -0.16 2.92 1.01 -0.94 -4.94 121.20 124.00 2qz8 s ILE 138 Ca 0.51 1.97 0.01 0.00 0.00 0.00 0.00 60.65 63.14 2qz8 s ILE 138 Cb -0.28 -4.28 -0.23 0.00 0.01 0.00 0.00 42.46 37.69 2qz8 s ILE 138 CO 0.33 0.22 0.18 0.18 0.00 0.00 0.00 174.94 175.85 2qz8 n LEU 139 N 3.53 2.23 -3.67 2.97 4.77 -1.26 -4.65 117.00 120.91 2qz8 n LEU 139 Ca 0.04 0.10 -0.14 0.00 -0.03 0.00 0.00 56.01 55.98 2qz8 n LEU 139 Cb 0.51 -0.71 -0.08 0.00 -2.33 0.00 0.00 43.42 40.81 2qz8 n LEU 139 CO 0.51 0.78 0.22 0.21 -1.33 0.00 0.00 177.39 177.78 2qz8 s ASN 140 N -6.58 -0.50 -0.38 -1.43 2.47 -1.26 -5.12 114.94 102.14 2qz8 s ASN 140 Ca -0.23 0.80 -0.12 0.00 0.42 0.00 0.00 52.86 53.73 2qz8 s ASN 140 Cb 0.07 0.82 0.03 0.00 -1.45 0.00 0.00 41.25 40.72 2qz8 s ASN 140 CO 0.73 -0.32 0.23 -0.89 -3.72 0.00 0.00 177.10 173.14 2qz8 s THR 141 N -0.32 4.77 0.04 -5.21 2.01 -1.26 -4.97 115.64 110.71 2qz8 s THR 141 Ca -0.05 -0.80 -0.15 0.00 0.31 0.00 0.00 61.69 60.99 2qz8 s THR 141 Cb -0.03 -3.66 -0.32 0.00 0.01 0.00 0.00 72.50 68.50 2qz8 s THR 141 CO 0.03 -0.26 1.06 -0.26 -0.69 0.00 0.00 174.62 174.51 2qz8 h PHE 142 N 8.49 1.01 -2.05 4.92 0.04 -2.06 -3.47 116.94 123.82 2qz8 h PHE 142 Ca -0.26 -0.67 0.03 0.00 2.80 0.00 0.00 57.97 59.87 2qz8 h PHE 142 Cb 1.11 -0.07 -0.19 0.00 2.20 0.00 0.00 35.95 39.01 2qz8 h PHE 142 CO 0.57 1.51 0.37 1.52 -0.60 0.00 0.00 178.31 181.68 2qz8 s TYR 143 N -2.84 -0.48 0.30 -0.55 -0.85 -1.26 -5.19 117.35 106.47 2qz8 s TYR 143 Ca -0.09 0.67 -0.15 0.00 -0.52 0.00 0.00 57.07 56.98 2qz8 s TYR 143 Cb 0.05 0.47 0.02 0.00 0.38 0.00 0.00 41.96 42.87 2qz8 s TYR 143 CO 0.94 -0.54 0.61 -1.54 -1.52 0.00 0.00 175.55 173.50 2qz8 s SER 144 N -1.65 -0.00 -1.75 -0.18 1.04 -1.26 -4.95 113.70 104.96 2qz8 s SER 144 Ca -0.03 -0.94 -0.19 0.00 0.48 0.00 0.00 55.95 55.27 2qz8 s SER 144 Cb -0.00 0.69 0.18 0.00 0.10 0.00 0.00 66.02 66.98 2qz8 s SER 144 CO 0.00 -1.33 0.71 0.47 0.98 0.00 0.00 173.24 174.07 2qz8 n ASP 145 N -0.73 -2.71 -4.46 7.02 10.43 -1.26 -4.90 116.55 119.94 2qz8 n ASP 145 Ca -0.03 -1.09 -0.44 0.00 2.57 0.00 0.00 54.79 55.80 2qz8 n ASP 145 Cb 0.61 -2.40 -0.02 0.00 1.84 0.00 0.00 41.12 41.14 2qz8 n ASP 145 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 2qz8 s ARG 146 N -7.03 3.67 -0.12 -1.24 0.52 -1.26 -5.01 118.95 108.48 2qz8 s ARG 146 Ca 0.74 -1.85 -0.29 0.00 -0.52 0.00 0.00 55.73 53.80 2qz8 s ARG 146 Cb -0.41 -4.96 -0.02 0.00 0.52 0.00 0.00 34.95 30.07 2qz8 s ARG 146 CO 0.96 -1.80 1.31 -0.65 0.02 0.00 0.00 175.30 175.14 2qz8 s GLN 147 N 2.64 4.25 -0.32 3.54 -0.21 -1.26 -4.99 119.66 123.31 2qz8 s GLN 147 Ca 0.35 1.75 -0.18 0.00 0.02 0.00 0.00 55.36 57.30 2qz8 s GLN 147 Cb -0.04 -3.75 -0.01 0.00 1.00 0.00 0.00 33.01 30.21 2qz8 s GLN 147 CO -0.08 -0.67 0.51 -1.58 -2.12 0.00 0.00 175.29 171.35 2qz8 s HIS 148 N 3.29 3.21 -0.39 0.91 5.65 -1.26 -5.02 115.29 121.67 2qz8 s HIS 148 Ca 0.58 0.36 -0.05 0.00 0.25 0.00 0.00 55.06 56.19 2qz8 s HIS 148 Cb -0.24 -2.85 0.09 0.00 -1.18 0.00 0.00 32.58 28.40 2qz8 s HIS 148 CO 0.18 -0.44 0.19 0.42 -0.65 0.00 0.00 174.74 174.44 2qz8 s ILE 149 N 2.36 3.58 -2.00 0.89 -1.09 -1.26 -5.20 121.20 118.48 2qz8 s ILE 149 Ca 0.20 -1.69 0.07 0.00 -2.23 0.00 0.00 60.65 57.00 2qz8 s ILE 149 Cb -0.15 -3.28 0.21 0.00 -1.58 0.00 0.00 42.46 37.65 2qz8 s ILE 149 CO 0.12 -0.52 0.90 -2.65 -1.23 0.00 0.00 174.94 171.56